| SpectraBase Compound ID | BT5avr6Scw |
|---|---|
| InChI | InChI=1S/C28H50O4/c1-17(7-8-18(2)25(3,4)31)21-9-10-22-20-15-24(30)28(32)16-19(29)11-14-27(28,6)23(20)12-13-26(21,22)5/h17-24,29-32H,7-16H2,1-6H3 |
| InChIKey | DDUGSCXKUOFBQJ-UHFFFAOYSA-N |
| Mol Weight | 450.7 g/mol |
| Molecular Formula | C28H50O4 |
| Exact Mass | 450.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G3GEHkrkknx |
|---|---|
| Name | Ergostane-3,5,6,25-tetrol, (3.beta.,5.alpha.,6.beta.)- |
| CAS Registry Number | 56143-31-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H50O4 |
| InChI | InChI=1S/C28H50O4/c1-17(7-8-18(2)25(3,4)31)21-9-10-22-20-15-24(30)28(32)16-19(29)11-14-27(28,6)23(20)12-13-26(21,22)5/h17-24,29-32H,7-16H2,1-6H3 |
| InChIKey | DDUGSCXKUOFBQJ-UHFFFAOYSA-N |
| Molecular Weight | 450.704 g/mol |
| SMILES | OC(C(CCC(C1C2(C(C3C(C4(C(CC(CC4)O)(C(C3)O)O)C)CC2)CC1)C)C)C)(C)C |
| SPLASH | splash10-0a4i-9755100000-20eed85548374628c511 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Ergostane-3,5,6,25-tetrol 17-(5,6-dimethyl-6-oxidanyl-heptan-2-yl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol 17-(5-hydroxy-1,4,5-trimethyl-hexyl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol 17-(6-hydroxy-5,6-dimethylheptan-2-yl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol |
| Wiley ID | 1387832 |